N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide

C15H20N6O2 — CID 136665222

IUPACN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NC1CC(c2cc(=O)[nH]c(N)n2)C1
InChIInChI=1S/C15H20N6O2/c1-21-11(4-5-17-21)2-3-13(22)18-10-6-9(7-10)12-8-14(23)20-15(16)19-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,22)(H3,16,19,20,23)
InChIKeyGMVYBYYRHNKRCW-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.08
Rot. Bonds5

About N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 136665222) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID136665222
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NC1CC(c2cc(=O)[nH]c(N)n2)C1
InChIInChI=1S/C15H20N6O2/c1-21-11(4-5-17-21)2-3-13(22)18-10-6-9(7-10)12-8-14(23)20-15(16)19-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,22)(H3,16,19,20,23)
InChIKeyGMVYBYYRHNKRCW-UHFFFAOYSA-N
XLogP0.08
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 136665222) is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)NC1CC(c2cc(=O)[nH]c(N)n2)C1.
What is the InChIKey of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is GMVYBYYRHNKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-21-11(4-5-17-21)2-3-13(22)18-10-6-9(7-10)12-8-14(23)20-15(16)19-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,22)(H3,16,19,20,23).
What are the key properties of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 316.37 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 136665222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).